SCHEMBL5136256

SCHEMBL5136256

CCC(CCCCCN)NCc1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.43
TAAR1 Q96RJ0 1/20 0.41
KDM4E B2RXH2 3/20 0.37
TLR2 O60603 2/20 0.37
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 3/20 0.34
ALDH1A1 P00352 2/20 0.34
SLC7A5 Q01650 1/20 0.33
MAPK1 P28482 1/20 0.33
PPARG P37231 1/20 0.33
ADRA2C P18825 1/20 0.33
MEN1 O00255 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6398519 0.84 LMNA (0.43) CHRM2TAAR1TLR2ALDH1A1
SCHEMBL4538523 0.82 CHRM2 (0.58) CHRM2ALDH1A1
SCHEMBL6404056 0.82 CHRM2 (0.58) CHRM2ALDH1A1
SCHEMBL11728106 0.72 LIPG (0.34) KDM4ETLR2
SCHEMBL11739851 0.72 TLR2 (0.39) TLR2
SCHEMBL21800050 0.71 TAS1R3 (0.38) KDM4EKMT2AMEN1
SCHEMBL3765090 0.71 TAAR1 (0.47) CHRM2TAAR1
SCHEMBL21799898 0.70 KDM4E (0.43) KDM4EKMT2AALDH1A1MAPK1MEN1
SCHEMBL6313952 0.70 L3MBTL1 (0.54) CHRM2TAAR1KDM4EKMT2AALDH1A1
SCHEMBL25620575 0.70 NR3C1 (0.42) TAAR1KDM4ENR3C1PGRNR3C2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1890995-A2 SYNTHESIS OF ORGANIC COMPOUNDS Alma Mater Studiorum -Universita' di Bologna (IT) 2008-02-27 EP disclosed
WO-2006134457-A2 2,5-BIS-DIAMIMNE [1 , 4] BENZOQUINONE-DERIVATIVES ALMA MATER STUDIORUM-UNIVERSITA' DI BOLOGNA (IT) 2006-12-21 WO disclosed